(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

C17H16F3N3O2 — CID 26005525

IUPAC(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c1-11(21-16(25)23-13-5-3-2-4-6-13)15(24)22-14-9-7-12(8-10-14)17(18,19)20/h2-11H,1H3,(H,22,24)(H2,21,23,25)/t11-/m0/s1
InChIKeyBUXVEZVSVBCDQH-NSHDSACASA-N
MW351.33 g/mol
LogP3.85
Rot. Bonds4

About (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 26005525) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID26005525
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O2/c1-11(21-16(25)23-13-5-3-2-4-6-13)15(24)22-14-9-7-12(8-10-14)17(18,19)20/h2-11H,1H3,(H,22,24)(H2,21,23,25)/t11-/m0/s1
InChIKeyBUXVEZVSVBCDQH-NSHDSACASA-N
XLogP3.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887195
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
1-[(1R,2S)-2-amino-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57063171
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 26005525) is (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BUXVEZVSVBCDQH-NSHDSACASA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-11(21-16(25)23-13-5-3-2-4-6-13)15(24)22-14-9-7-12(8-10-14)17(18,19)20/h2-11H,1H3,(H,22,24)(H2,21,23,25)/t11-/m0/s1.
What are the key properties of (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 351.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26005525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).